{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.146081 0.146081 0.5 ] [ 0.646081 0.353919 0 ] [ 0.353919 0.646081 0 ] [ 0.853919 0.853919 0.5 ] [ 0.197132 0.197132 0 ] [ 0.697132 0.302868 0.5 ] [ 0.302868 0.697132 0.5 ] [ 0.802868 0.802868 0 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.375312 0.375312 0.302035 ] [ 0.875312 0.124688 0.802035 ] [ 0.124688 0.875312 0.802035 ] [ 0.624688 0.624688 0.302035 ] [ 0.375312 0.375312 0.697965 ] [ 0.875312 0.124688 0.197965 ] [ 0.124688 0.875312 0.197965 ] [ 0.624688 0.624688 0.697965 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.90399520013 "source-unit" "angstrom" } "c" { "source-value" 7.98471614 "source-unit" "angstrom" } }